Geometry & MOs

Info

ID:	149172
PubChem CID:	53788844
Reduced:	BrSN2O3C23H29 (1)
Stoich.:	ABC2D3E23F29 (1)
Weight, g/mol:	408.108638
ΔH_f, kcal/mol:	-75.96
Dipole, Da:	8.78
IP(EA), eV:	-8.02(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,6-dimethyl-4-(3-nitrophenyl)-5-(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-3,4-dihydropyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)N(C(=O)S2)O)CCNCCCCCCOCCC3=CC=C(C=C3)Br

DOS

IR

Vibrations